N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C15H29NO — CID 3018433

IUPACN-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-5-6-9-16-15(17)14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyHNQBHFPOOAHYGE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.61
Rot. Bonds5

About N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 3018433) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID3018433
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H29NO/c1-5-6-9-16-15(17)14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)
InChIKeyHNQBHFPOOAHYGE-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 3018433) is N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CCCCNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is HNQBHFPOOAHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-6-9-16-15(17)14-10-12(4)7-8-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17).
What are the key properties of N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 3018433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).